CID 6017797

329778-62-3

Structural Information

Molecular Formula
C19H18F3NO
SMILES
CC(C)CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2F)F)F
InChI
InChI=1S/C19H18F3NO/c1-12(2)9-14-5-3-13(4-6-14)7-8-19(24)23-18-11-16(21)15(20)10-17(18)22/h3-8,10-12H,9H2,1-2H3,(H,23,24)/b8-7+
InChIKey
SCFAMLLJBVUCHH-BQYQJAHWSA-N
Compound name
(E)-3-[4-(2-methylpropyl)phenyl]-N-(2,4,5-trifluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.13406 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14134 177.1
[M+Na]+ 356.12328 184.7
[M-H]- 332.12678 179.9
[M+NH4]+ 351.16788 190.9
[M+K]+ 372.09722 178.6
[M+H-H2O]+ 316.13132 166.4
[M+HCOO]- 378.13226 196.1
[M+CH3COO]- 392.14791 215.5
[M+Na-2H]- 354.10873 175.6
[M]+ 333.13351 174.0
[M]- 333.13461 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.